87 citations · 589 across the 22 of their papers we have counts for
22 papers
Luminescent Trityl-based Diradicaloids: A Theoretical and Experimental Assessment of Charge-Resonance in Low-Lying Excited States
Davide Mesto, Michele Orza, Brunella Bardi +8
The tris(2,4,6-trichlorophenyl)methyl radical (TTM) has inspired the synthesis of several luminescent diradicals and diradicaloids, providing an extraordinary opportunity to contro…
Optical spectra in condensed phases: how the medium polarizability affects charge-transfer dyes
D. K. Andrea Phan Huu, Cristina Sissa, Francesca Terenziani +1
When designing molecular functional materials, the properties of the active specie, the dye, must be optimized fully accounting for environmental effects. Here we present an effect…
Antiadiabatic View of Fast Environmental Effects on Optical Spectra
D. K. Andrea Phan Huu, Rama Dhali, Carlotta Pieroni +4
An antiadiabatic approach is proposed to model how the refractive index of the surrounding medium affects optical spectra of molecular systems in condensed phases. The approach sol…
Negative Differential Conductance in Nano-junctions: A Current Constrained Approach
Prakash Parida, Swapan K. Pati, Anna Painelli
A current constrained approach is proposed to calculate negative differential conductance in molecular nano-junctions. A four-site junction is considered where a steady-state curre…
Direct evidence of overdamped Peierls-coupled modes in TTF-CA temperature-induced phase transition
A. Girlando, M. Masino, A. Painelli +5
In this paper we elucidate the optical response resulting from the interplay of charge distribution (ionicity) and Peierls instability (dimerization) in the neutral-ionic, ferroele…
Anomalous dispersion of optical phonons at the neutral-ionic transition: Evidence from diffuse X-ray scattering
Gabriele D'Avino, Alberto Girlando, Anna Painelli +2
Diffuse X-ray data for mixed stack organic charge-transfer crystals approaching the neutral-ionic phase transition can be quantitatively explained as due to the softening of the op…